2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methylprop-2-enyl)-1,3-oxazole-4-carboxamide

C16H16N2O5 — CID 26315933

IUPAC2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methylprop-2-enyl)-1,3-oxazole-4-carboxamide
SMILESC=C(C)CNC(=O)c1coc(COc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C16H16N2O5/c1-10(2)6-17-16(19)12-7-21-15(18-12)8-20-11-3-4-13-14(5-11)23-9-22-13/h3-5,7H,1,6,8-9H2,2H3,(H,17,19)
InChIKeyOLSCSFAGRGOJTN-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.29
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methylprop-2-enyl)-1,3-oxazole-4-carboxamide

2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methylprop-2-enyl)-1,3-oxazole-4-carboxamide (PubChem CID 26315933) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methylprop-2-enyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methylprop-2-enyl)-1,3-oxazole-4-carboxamide
PubChem CID26315933
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methylprop-2-enyl)-1,3-oxazole-4-carboxamide
SMILESC=C(C)CNC(=O)c1coc(COc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C16H16N2O5/c1-10(2)6-17-16(19)12-7-21-15(18-12)8-20-11-3-4-13-14(5-11)23-9-22-13/h3-5,7H,1,6,8-9H2,2H3,(H,17,19)
InChIKeyOLSCSFAGRGOJTN-UHFFFAOYSA-N
XLogP2.29
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methylprop-2-enyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methylprop-2-enyl)-1,3-oxazole-4-carboxamide (CID 26315933) is 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methylprop-2-enyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methylprop-2-enyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methylprop-2-enyl)-1,3-oxazole-4-carboxamide is C=C(C)CNC(=O)c1coc(COc2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methylprop-2-enyl)-1,3-oxazole-4-carboxamide?
The InChIKey is OLSCSFAGRGOJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-10(2)6-17-16(19)12-7-21-15(18-12)8-20-11-3-4-13-14(5-11)23-9-22-13/h3-5,7H,1,6,8-9H2,2H3,(H,17,19).
What are the key properties of 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methylprop-2-enyl)-1,3-oxazole-4-carboxamide?
2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methylprop-2-enyl)-1,3-oxazole-4-carboxamide has a molecular weight of 316.31 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methylprop-2-enyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 26315933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).